SCHEMBL9825630

SCHEMBL9825630

CCOC(=O)c1c(O)c(Br)c(Br)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 3/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL182493 0.87 MAPT (0.62) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL9826299 0.82 TSHR (0.47) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL9826209 0.78 ALDH1A1 (0.76) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL2880809 0.77 TSHR (0.50) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL23421379 0.76 TSHR (0.52) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL2886864 0.76 TSHR (0.49) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL2883419 0.76 CYP19A1 (0.49) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL12502788 0.75 TSHR (0.51) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL15510945 0.75 TSHR (0.48) MAPTALDH1A1GAATSHRMAPK1
SCHEMBL5238563 0.74 MAPT (0.52) MAPTALDH1A1GAATSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed